cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol

C22H26O4 — CID 10760615

IUPACcyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol
SMILESOC(c1ccc(OCC2COc3ccccc3O2)cc1)C1CCCCC1
InChIInChI=1S/C22H26O4/c23-22(16-6-2-1-3-7-16)17-10-12-18(13-11-17)24-14-19-15-25-20-8-4-5-9-21(20)26-19/h4-5,8-13,16,19,22-23H,1-3,6-7,14-15H2
InChIKeyBUVQRWPVYKGWKS-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.52
Rot. Bonds5

About cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol

cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol (PubChem CID 10760615) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Namecyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol
PubChem CID10760615
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Namecyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol
SMILESOC(c1ccc(OCC2COc3ccccc3O2)cc1)C1CCCCC1
InChIInChI=1S/C22H26O4/c23-22(16-6-2-1-3-7-16)17-10-12-18(13-11-17)24-14-19-15-25-20-8-4-5-9-21(20)26-19/h4-5,8-13,16,19,22-23H,1-3,6-7,14-15H2
InChIKeyBUVQRWPVYKGWKS-UHFFFAOYSA-N
XLogP4.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol
CID 18838021
3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 46849851
N-[[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 42562016
cyclohexyl-[(2R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-hydroxypropyl]-methylazanium
CID 6945168
(2R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 6948271
(2R)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7024470
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 92576418
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 5057406
(S)-cyclopentyl(phenyl)methanol
CID 36691435

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol?
The IUPAC name of cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol (CID 10760615) is cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol.
What is the SMILES notation for cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol?
The canonical SMILES for cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol is OC(c1ccc(OCC2COc3ccccc3O2)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol?
The InChIKey is BUVQRWPVYKGWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c23-22(16-6-2-1-3-7-16)17-10-12-18(13-11-17)24-14-19-15-25-20-8-4-5-9-21(20)26-19/h4-5,8-13,16,19,22-23H,1-3,6-7,14-15H2.
What are the key properties of cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol?
cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol has a molecular weight of 354.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 10760615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).